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Chemistry

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Also known as: 69467-96-5, 9v8bvp5x5e, Unii-9v8bvp5x5e, 2,3-dihydrophthalazine-1,4-dione dihydrazone monomethanesulphonate, Einecs 274-013-7, Dihydralazine mesilate
Molecular Formula
C9H14N6O3S
Molecular Weight
286.31  g/mol
InChI Key
DRFCWYSGNDFNPW-UHFFFAOYSA-N
FDA UNII
9V8BVP5X5E

Dihydralazine Mesylate
1 2D Structure

Dihydralazine Mesylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-hydrazinylphthalazin-1-yl)hydrazine;methanesulfonic acid
2.1.2 InChI
InChI=1S/C8H10N6.CH4O3S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,2,3,4)
2.1.3 InChI Key
DRFCWYSGNDFNPW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)O.C1=CC=C2C(=C1)C(=NN=C2NN)NN
2.2 Other Identifiers
2.2.1 UNII
9V8BVP5X5E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 69467-96-5

2. 9v8bvp5x5e

3. Unii-9v8bvp5x5e

4. 2,3-dihydrophthalazine-1,4-dione Dihydrazone Monomethanesulphonate

5. Einecs 274-013-7

6. Dihydralazine Mesilate

7. Schembl2129435

8. Dtxsid70219687

9. Dihydralazine Mesilate [who-dd]

10. Q27273269

11. Phthalazine, 1,4-dihydrazinyl-, Methanesulfonate (1:1)

12. Phthalazine, 1,4-dihydrazinyl-, Methanesulphonate (1:1)

13. 1,4-phthalazinedione, 2,3-dihydro-, Dihydrazone, Monomethanesulfonate

14. 1,4-phthalazinedione, 2,3-dihydro-, Dihydrazone, Monomethanesulphonate

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 286.31 g/mol
Molecular Formula C9H14N6O3S
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass286.08480950 g/mol
Monoisotopic Mass286.08480950 g/mol
Topological Polar Surface Area165 Ų
Heavy Atom Count19
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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08-Jul-2021
18-Jan-2024
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